Tigloylgomisin H

CAT: 0931-TN2272-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-TN2272-01Size:1 mg

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CAS Number

66069-55-4

Target

Nrf2

Related Pathways

Immunology/Inflammation

Purity

0.9995

Bioactivity

Tigloylgomisin H significantly induces quinone reductase (QR) activity in Hepa1c1c7 mouse hepatocarcinoma cells. Tigloylgomisin H functions as a novel monofunctional inducer that specifically upregulates phase II enzymes through the Nrf2-ARE pathway and can be used in liver cancer prevention studies.

Smiles

O(C(C(=CC)C)=O)C1=C2C=3C(=CC(OC)=C(OC)C3OC)CC(C)(O)C(C)CC2=CC(OC)=C1OC

Molecular Formula

C28H36O8

Molecular Weight

500.58

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Tigloylgomisin H

tigloylgomisin h has been reported in Schisandra chinensis with data available.

CAS Number	66069-55-4
PubChem CID	5318766
IUPAC Name	[(9S,10S)-10-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (E)-2-methylbut-2-enoate
Molecular Formula	C28H36O8
Molecular Weight	500.6
XLogP	5
Topological Polar Surface Area	92.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	36
Formal Charge	0
Complexity	771

SMILES

C/C=C(\C)/C(=O)OC1=C2C(=CC(=C1OC)OC)C[C@@H]([C@@](CC3=CC(=C(C(=C32)OC)OC)OC)(C)O)C

InChI

InChI=1S/C28H36O8/c1-10-15(2)27(29)36-26-21-17(12-19(31-5)24(26)34-8)11-16(3)28(4,30)14-18-13-20(32-6)23(33-7)25(35-9)22(18)21/h10,12-13,16,30H,11,14H2,1-9H3/b15-10+/t16-,28-/m0/s1

InChIKey

ZSAUXCVJDYCLRS-QEEHVONISA-N

Chemical Structure

2D Structure

CAS: 66069-55-4

CID: 5318766

Formula: C28H36O8

MW: 500.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	500.6
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	500.24101810
Monoisotopic Mass	500.24101810
Topological Polar Surface Area	92.7 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	771
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Tigloylgomisin H

Chemical Information

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